SCHEMBL13693147

SCHEMBL13693147

CCC(COc1ccc(Cl)cc1C#N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.53
SLC6A4 P31645 8/20 0.47
CYP2D6 P10635 7/20 0.47
SLC6A2 P23975 7/20 0.47
KCNH2 Q12809 2/20 0.47
SCN4A P35499 2/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.39
TRPV4 Q9HBA0 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12142080 0.81 NOS2 (0.52) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL13085564 0.79 NOS2 (0.45) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL13085570 0.79 NOS2 (0.48) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL1197763 0.76 MAPT (0.54) NOS2SLC6A4CYP2D6SLC6A2HTR2C
SCHEMBL12143484 0.74 TRPV4 (0.49) TRPV4
Hydrochloric Acid SCHEMBL27743366 0.74 MAPT (0.52) NOS2SLC6A4CYP2D6SLC6A2HTR2C
SCHEMBL6215963 0.74 MAOB (0.60) NOS2SLC6A4
SCHEMBL12142904 0.72 SLC6A4 (0.47) SLC6A4SCN4A
SCHEMBL2866284 0.72 MAOB (0.45) NOS2HTR2B
SCHEMBL2866287 0.72 MAOB (0.45) NOS2HTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S NOS2 645/4885SLC6A4 2901/4885CYP2D6 23/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.